SCHEMBL15340959

SCHEMBL15340959

CC(C)c1cccc(-c2cnc(O)nc2)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 2/20 0.50
RXRB P28702 1/20 0.50
RXRG P48443 1/20 0.50
CDK8 P49336 2/20 0.44
KDM4E B2RXH2 1/20 0.44
MDM4 O15151 1/20 0.44
ALDH1A1 P00352 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
TP53 P04637 1/20 0.44
CYP3A4 P08684 1/20 0.44
MAPT P10636 1/20 0.44
TYR P14679 1/20 0.44
HPGD P15428 1/20 0.44
ALOX15 P16050 1/20 0.44
ALOX12 P18054 1/20 0.44
CA5A P35218 1/20 0.44
HTT P42858 1/20 0.44
HDAC4 P56524 1/20 0.44
MDM2 Q00987 1/20 0.44

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL24726518 0.83 RXRA (0.51) RXRARXRBRXRGCDK8KDM4E
SCHEMBL8739373 0.82 MAP4K4 (0.59) RXRARXRBRXRGCDK8PTPN5
SCHEMBL5352034 0.80 RXRA (0.62) RXRARXRBRXRGKDM4EMDM4
SCHEMBL15340960 0.79 FTO (0.46) RXRARXRBRXRGCDK8HDAC4
SCHEMBL24721112 0.79 RXRA (0.44) RXRARXRBRXRGCDK8KDM4E
SCHEMBL15340936 0.79 ATM (0.44) RXRARXRBRXRGCDK8PTPN5
SCHEMBL598181 0.78 RXRA (0.66) RXRARXRBRXRGKDM4EMDM4
SCHEMBL10022392 0.78 RXRA (0.49) RXRARXRBRXRGCDK8KDM4E
SCHEMBL24721140 0.77 RXRA (0.49) RXRARXRBRXRGCDK8PTPN5
SCHEMBL19772854 0.77 RXRA (0.49) RXRARXRBRXRGCDK8KDM4E

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180127388-A1 THERAPEUTIC COMPOUNDS GILEAD SCIENCES, INC. 2018-05-10 US disclosed
US-20180127388-A1 THERAPEUTIC COMPOUNDS GILEAD SCIENCES, INC. 2018-05-10 US disclosed
US-20160152582-A1 THERAPEUTIC COMPOUNDS GILEAD SCIENCES, INC. 2016-06-02 US disclosed
US-20160015690-A1 THERAPEUTIC COMPOUNDS GILEAD SCIENCES, INC. 2016-01-21 US disclosed
US-9096586-B2 Therapeutic compounds GILEAD SCIENCES, INC. (US) 2015-08-04 US disclosed
US-8987250-B2 Therapeutic compounds GILEAD SCIENCES, INC. (US) 2015-03-24 US disclosed
US-20130281433-A1 THERAPEUTIC COMPOUNDS GILEAD SCIENCES, INC. 2013-10-24 US disclosed
US-20130281434-A1 THERAPEUTIC COMPOUNDS GILEAD SCIENCES, INC. (US) 2013-10-24 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (5 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20180127388-A1 THERAPEUTIC COMPOUNDS NQO1, HAVCR2, CCR5 RXRA 1408/4885RXRB 1416/4885RXRG 1133/4885
US-20130281434-A1 THERAPEUTIC COMPOUNDS NFATC1, FURIN, CD4 RXRA 396/4885RXRB 581/4885RXRG 365/4885
US-20160015690-A1 THERAPEUTIC COMPOUNDS NQO1, HAVCR2, CCR5 RXRA 1408/4885RXRB 1416/4885RXRG 1133/4885
US-20130281433-A1 THERAPEUTIC COMPOUNDS NQO1, HAVCR2, CCR5 RXRA 1408/4885RXRB 1416/4885RXRG 1133/4885
US-20160152582-A1 THERAPEUTIC COMPOUNDS NFATC1, FURIN, CD4 RXRA 396/4885RXRB 581/4885RXRG 365/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.